(4-sulfamoylphenyl)methyl 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate

Systemtic Name: (4-sulfamoylphenyl)methyl 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate Openeye Name: (4-sulfamoylphenyl)methyl 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetate CAS Name: 2-(2,6-diethyl-4-phenyl-1-pyridin-1-iumyl)acetic acid (4-sulfamoylphenyl)methyl ester IUPAC Name: (4-sulfamoylphenyl)methyl 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetic acid (4-sulfamoylbenzyl) ester Formula: C24H27N2O4S+ MolecularWeight: 439.54718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=[N+]1CC(=O)OCC2=CC=C(C=C2)S(=O)(=O)N)CC)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC(=[N+]1CC(=O)OCC2=CC=C(C=C2)S(=O)(=O)N)CC)C3=CC=CC=C3

InChI

InChI=1S/C24H27N2O4S/c1-3-21-14-20(19-8-6-5-7-9-19)15-22(4-2)26(21)16-24(27)30-17-18-10-12-23(13-11-18)31(25,28)29/h5-15H,3-4,16-17H2,1-2H3,(H2,25,28,29)/q+1